LAMMPS Simulation - LJ+2Yukawa
Runs a LAMMPS simulation of a colloidal suspension and calculates the scattering spectra, using double Yukawa potential.
What it does
A tool that would run a LAMMPS[1] simulation of a colloidal suspension and then calculate the scattering spectra using FFTW[2,3]. The interaction among charged colloidal particles is described by an excluded volume, represented by a repulsive Lennard-Jones potential, and double Yukawa potential [4]. The tool will output two files: the raw text file and a PNG image file of the scattering spectra.
References
- [1] https://www.lammps.org/
- [2] https://www.fftw.org/
- [3] Carrillo, J. M. Y., & Dobrynin, A. V. (2011). Polyelectrolytes in salt solutions: Molecular dynamics simulations. Macromolecules, 44(14), 5798-5816. https://doi.org/10.1021/ma2007943
- [4] Wu, Jianlan, et al. "Structural arrest transitions in fluids described by two Yukawa potentials." Physical Review E 70.5 (2004): 050401. https://doi.org/10.1103/PhysRevE.70.050401